SCHEMBL3020955

SCHEMBL3020955

CC(=O)C(=O)OC1=CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
GSTP1 P09211 1/20 0.33
CTSK P43235 1/20 0.33
RAB9A P51151 2/20 0.31
ALDH1A1 P00352 1/20 0.31
ESR1 P03372 1/20 0.31
PGR P06401 1/20 0.31
CHRM2 P08172 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
AR P10275 1/20 0.31
CHRM1 P11229 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A3 Q01959 1/20 0.31
NPC1 O15118 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3020908 0.94 HDAC3 (0.34) HDAC4HDAC2HDAC8HDAC6GSTP1
SCHEMBL20440725 0.88 HDAC4 (0.41) HDAC4HDAC2HDAC8HDAC6GSTP1
SCHEMBL20440728 0.86 HDAC4 (0.39) HDAC4HDAC2HDAC8HDAC6GSTP1
SCHEMBL999502 0.85 KMT2A (0.40) HDAC4HDAC2HDAC8HDAC6GSTP1
SCHEMBL561717 0.84 PGR (0.40) HDAC4HDAC2HDAC8HDAC6GSTP1
SCHEMBL2144675 0.84 KMT2A (0.39) HDAC4HDAC2HDAC8HDAC6GSTP1
SCHEMBL7174136 0.84 GSTP1 (0.40) HDAC4HDAC2HDAC8HDAC6GSTP1
SCHEMBL27796676 0.84 HDAC4 (0.33) HDAC4HDAC2HDAC8HDAC6GSTP1
Methyl Alcohol SCHEMBL1682389 0.84 KMT2A (0.39) HDAC4HDAC2HDAC8HDAC6GSTP1
SCHEMBL27584053 0.84 KMT2A (0.39) HDAC4HDAC2HDAC8HDAC6GSTP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1874407-B1 SUBSTANCES AND PHARMACEUTICAL COMPOSITIONS FOR THE INHIBITION OF GLYOXALASES AND THEIR USE AS ANTI-FUNGAL AGENTS BIOMAC PRIVATINSTITUT FÜR MEDIZINISCHE UND ZAHNMEDIZINISCHE FORSCHUNG ENTWICKLUNG UND DIAGNOSTIK GMB (DE) 2015-09-09 EP disclosed
EP-1877141-B1 SUBSTANCES AND PHARMACEUTICAL COMPOSITIONS FOR THE INHIBITION OF GLYOXALASES AND THEIR USE AGAINST BACTERIA BIOMAC PRIVATINSTITUT FUER MEDIZINISCHE UND ZAHNMEDIZINISCHE FORSCHUNG ENTWICKLUNG UND DIAGNOSTIK GM (DE) 2013-06-12 EP disclosed
US-20100204161-A1 Substances and Pharmaceutical Compositions for the Inhibition of Glyoxalases and Their Use Against Bacteria BIOMAC PRIVATINSTITUT FUR MEDIZINISHE UND ZAHMEDIZ FORSCHUNG, ENTWICKLUNG UND DIAGNOSTIK GMBH (DE) 2010-08-12 US disclosed
US-20090325208-A1 Biosynthesis of Salinosporamide A and Analogs and Methods Thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2009-12-31 US disclosed
US-20080300303-A1 Substances and Pharmaceutical Compositions for the Inhibition of Glyoxalases and Their Use As Anti-Fungal Agents BIOMAC PRIVATINSTITUT FUER MEDIZINISCHE UND ZAHNMEDIZINISCHE FORSCHUNG, ENTWICKLUNG UND DIAGNOSTIK GMBH (DE) 2008-12-04 US disclosed
WO-2008002600-A2 BIOSYNTHESIS OF SALINOSPORAMIDE A AND ANALOGS AND METHODS THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-01-03 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080300303-A1 Substances and Pharmaceutical Compositions for the Inhibition of Glyoxalases and Their Use As Anti-Fungal Agents GLO1, G6PD, GRHPR HDAC4 2302/4885HDAC2 1927/4885HDAC8 2404/4885
US-20100204161-A1 Substances and Pharmaceutical Compositions for the Inhibition of Glyoxalases and Their Use Against Bacteria GLO1, G6PD, GRHPR HDAC4 3581/4885HDAC2 3632/4885HDAC8 4037/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.